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Compound Detail

CHEMBL1081059

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O=C(O)c1ccc(C(F)(F)P(=O)(O)O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1081059
Phase Preclinical
Structure Type MOL
InChI Key ISIHLDHBQMUQRY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

252.1
MW (Da)
1.61
ALogP
2
HBA
3
HBD
94.8
PSA (Ų)
0.71
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C8H7F2O5P
MW 252.11
Aromatic Rings 1
Heavy Atoms 16
NP-Likeness -0.28

Literature References

PubMed DOI Target Context # Activities
19889539 10.1016/j.bmcl.2009.10.090 Low molecular weight protein-tyrosine phosphatase A 1

Data from ChEMBL 36 via Core Engine